[phenixbb] multi-xtal averaging vs twinning
Frank von Delft
frank.vondelft at sgc.ox.ac.uk
Tue Jun 23 00:44:44 PDT 2009
Hi, I'm trying to to figure out how to transfer phases from a twinned
SeMet dataset to the native one for refinement.
1) SeMet dataset (2.9A) is solved (despite twinning), structure built,
refines 29/35 (ish)
2) SeMet crystals are hemihedrally twinned (confirmed by refining with
twin law), native probably too.
3) Native dataset (2.7A) has 5A difference in the long cell edge (478 vs
So I could (and will try to) simply copy the SeMet phases into the
native dataset, even though CC Fnat and Fsme is rather low (80-20%).
But would phenix.multi_crystal_average know what to do with this? It
has no explicit options, so I expected not.
Or how *would* one approach this?
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